Geometry & MOs

Info

ID:	319826
PubChem CID:	126657360
Reduced:	OC8H16 (2)
Stoich.:	AB8C16 (2)
Weight, g/mol:	559.338562
ΔH_f, kcal/mol:	-164.08
Dipole, Da:	1.84
IP(EA), eV:	-10.72(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclodecyl]cyclooctane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC(CCCCC)CCOC(=O)C

DOS

IR

Vibrations